SCHEMBL16648038

SCHEMBL16648038

COC(=O)[C@@H]1[C@@H](F)CCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.53
▸ ADAM17 P78536 2/20 0.53
▸ TRPA1 O75762 14/20 0.49
▸ PKM P14618 1/20 0.49
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20642351 0.84 MMP1 (0.51) MMP1ADAM17TRPA1PKMLMNA
SCHEMBL20642422 0.84 MMP1 (0.51) MMP1ADAM17TRPA1PKMLMNA
SCHEMBL17959573 0.84 MAPT (0.51) TRPA1PKMLMNA
SCHEMBL16647953 0.84 MAPT (0.51) TRPA1PKMLMNA
SCHEMBL16648073 0.83 TRPA1 (0.48) TRPA1LMNA
SCHEMBL20642488 0.81 MAPT (0.49) MMP1ADAM17PKMLMNATSHR
SCHEMBL21442025 0.79 LMNA (0.62) MMP1ADAM17TRPA1LMNATSHR
SCHEMBL18017266 0.76 TRPA1 (0.53) TRPA1PKMLMNATSHRALDH1A1
SCHEMBL15833063 0.75 MAPT (0.53) ADAM17TRPA1PKMLMNATSHR
SCHEMBL17147371 0.75 MAPT (0.53) ADAM17TRPA1PKMLMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 — — US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 — — US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 — — US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 — — US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 — — US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 — — US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MMP1 4311/4885ADAM17 3338/4885TRPA1 1/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MMP1 4311/4885ADAM17 3338/4885TRPA1 1/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MMP1 4311/4885ADAM17 3338/4885TRPA1 1/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 MMP1 4311/4885ADAM17 3338/4885TRPA1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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